2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen

C13H19N — CID 156874569

IUPAC2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen
SMILESCNCCc1ccc2c(c1)=CCCC=2.[H][H]
InChIInChI=1S/C13H17N.H2/c1-14-9-8-11-6-7-12-4-2-3-5-13(12)10-11;/h4-7,10,14H,2-3,8-9H2,1H3;1H
InChIKeyBGSVTNZEXXFEDT-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.05
Rot. Bonds3

About 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen

2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen (PubChem CID 156874569) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen
PubChem CID156874569
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen
SMILESCNCCc1ccc2c(c1)=CCCC=2.[H][H]
InChIInChI=1S/C13H17N.H2/c1-14-9-8-11-6-7-12-4-2-3-5-13(12)10-11;/h4-7,10,14H,2-3,8-9H2,1H3;1H
InChIKeyBGSVTNZEXXFEDT-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117455100
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
2-(4-cyclobutylphenyl)-N-methylethanamine
CID 83829400
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
CID 117108084
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862
N-methyl-2-(3-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)ethanamine
CID 117203776
N-methyl-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)ethanamine
CID 83836841
N-methyl-2-(1-propyl-2,3-dihydroindol-6-yl)ethanamine
CID 115105803
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-6-yl]-N-methylethanamine
CID 115105814
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen?
The IUPAC name of 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen (CID 156874569) is 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen.
What is the SMILES notation for 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen?
The canonical SMILES for 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen is CNCCc1ccc2c(c1)=CCCC=2.[H][H].
What is the InChIKey of 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen?
The InChIKey is BGSVTNZEXXFEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.H2/c1-14-9-8-11-6-7-12-4-2-3-5-13(12)10-11;/h4-7,10,14H,2-3,8-9H2,1H3;1H.
What are the key properties of 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen?
2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen has a molecular weight of 189.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydronaphthalen-2-yl)-N-methylethanamine;molecular hydrogen is sourced from PubChem (CID 156874569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).